"platforms/hip/src/HipKernel.cpp" did not exist on "58b094cec72f74db91e131277804e82e168c16e0"
  1. 11 Aug, 2025 1 commit
    • Peter Eastman's avatar
      Adaptive quantum thermal bath (#4995) · 2af004b6
      Peter Eastman authored
      * Began implementing QTBIntegrator
      
      * Adaptation and deconvolution
      
      * Continuing reference implementation
      
      * Continuing to implement QTBIntegrator
      
      * Use common thread pool
      
      * More tests, documentation, and threading
      
      * Fix segfault
      
      * Serialize adapted friction when creating a State
      
      * Beginning of GPU implementation
      
      * Added missing files
      
      * Bug fixes
      
      * Fixed inverse FFT
      
      * Continuing GPU implementation
      
      * Checkpointing
      
      * Bug fixes
      
      * Test cases run faster
      
      * Changes needed for latest main branch
      
      * Minor optimizations
      
      * Documentation
      
      * Fixed atom reordering
      
      * Added parahydrogen test case
      
      * Workaround for bug in Microsoft's compiler
      
      * Added a Python test
      
      * Normalize kernel in deconvolution
      
      * Minor documentation improvements
      2af004b6
  2. 28 Apr, 2025 1 commit
    • Peter Eastman's avatar
      Created CustomVolumeForce (#4902) · baf7942c
      Peter Eastman authored
      * Created CustomVolumeForce
      
      * Serialization for CustomVolumeForce
      
      * Documentation for CustomVolumeForce
      
      * Code simplification
      
      * Removed unused code
      baf7942c
  3. 10 Mar, 2021 1 commit
  4. 15 Apr, 2014 1 commit
  5. 31 Jan, 2012 1 commit
  6. 22 Sep, 2010 1 commit
  7. 20 Sep, 2010 1 commit
  8. 19 Sep, 2008 1 commit
  9. 14 Aug, 2008 1 commit
  10. 25 Apr, 2008 1 commit
  11. 22 Apr, 2008 1 commit
  12. 17 Apr, 2008 1 commit
  13. 16 Apr, 2008 1 commit